ID: 104854
SMILES:c12c(O)cc(C(C)C(OC(C(CC)C)=O)C)c(OC)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.383
InChIKey:QXFZNEPHBBRKAC-UHFFFAOYSA-N
ID: 104855
SMILES:COC1OC2C(O)C1C1(CO)C(O)C(Oc3cc(CCCCC)cc(O)c3O1)C1=C2CCC1C(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.575
CB1 binding score: -15.852
InChIKey:WWAKCKFNEMHDSL-UHFFFAOYSA-N
ID: 104856
SMILES:c12c(CCCCC)cc(O)c(O)c1C1(CCC(=O)CC1)C(=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.519
InChIKey:NQOHEUSULMBVOO-UHFFFAOYSA-N
ID: 104857
SMILES:O1c2c(c(C)cc(O)c2C(=O)C(C)C)C(CC(C)(C)O)C1(CCC(C1CCC(C)=CC1=O)=C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -13.963
InChIKey:FVIKJHMBMIDESS-UHFFFAOYSA-N
ID: 104858
SMILES:O=C(c1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2)c1cc(C=C(C)CCCN(C)C)c(O)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 589.817
CB1 binding score: -15.192
InChIKey:PMIWBEZOOYWHBZ-UHFFFAOYSA-N
ID: 104859
SMILES:CC1(C)C2(C(C(C(C)C)=O)=C(C)CCC2)C(=O)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.609
InChIKey:FGQNSHOQXIXPPC-UHFFFAOYSA-N
ID: 104860
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.543
InChIKey:ONDQXFXFABZSBN-UHFFFAOYSA-N
ID: 104861
SMILES:C1C2C(CC(C)=C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 104862
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 104863
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 104864
SMILES:C(c1c(O)c2c(c(O)c1)C(=O)C1C(C)(CCCC1(C)C)O2)CCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.306
InChIKey:YNHZUFZKWIGSBN-UHFFFAOYSA-N
ID: 104865
SMILES:C12C(C)(C3C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C3)CCC2=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.397
InChIKey:BPKYITDKRXDHTE-UHFFFAOYSA-N
ID: 104866
SMILES:C(C=C(C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 104867
SMILES:C(CCC(C)=CCc1c(O)cc(CCCCC)cc1O)(C(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.195
InChIKey:DJCJHTHQEMKLLT-UHFFFAOYSA-N
ID: 104868
SMILES:C1(C)C=CC2(C)CCC(C(=C)C)C2Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -16.595
InChIKey:BVSALKBISUPRQN-UHFFFAOYSA-N
ID: 104869
SMILES:c1(O)c(C2C(C(C)=C)CCC(C(=O)O)=CC2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.47
InChIKey:SCQGAKNQEUCRHX-UHFFFAOYSA-N
ID: 104870
SMILES:Cc1c(O)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 104871
SMILES:C(CCC(OC)C(O)(C)C)(=CCCC(C)=CCc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(O)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.732
CB1 binding score: -12.458
InChIKey:OKGBQLGLYPILHS-UHFFFAOYSA-N
ID: 104872
SMILES:C1CC2(C(=O)O)C(C(C)C1(C)C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.263
InChIKey:XNOCSJKNAXJCSX-UHFFFAOYSA-N
ID: 104873
SMILES:C1C(C)=CC2c3c(cc(CC=C(C)C)c(CCc4ccccc4)c3)OC1(C)CCC2C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.671
CB1 binding score: -13.621
InChIKey:BEVWSUGJUGVMPT-UHFFFAOYSA-N
ID: 104874
SMILES:CC(CCC=C(C)C)=CCC1Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.615
InChIKey:UGTKWFASZVKLOM-UHFFFAOYSA-N